Fumaric Acid

Fumaric Acid

SCHEMBL8959671

COc1cn(C[C@H](C)N)c2cccc(C)c12.O=C(O)C=CC(=O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 5/20 0.45
HTR2A known ✓ P28223 4/20 0.42
KMT2A known ✓ Q03164 1/20 0.34
TRPM5 Q9NZQ8 7/20 0.39
HTR7 P34969 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GFER P55789 1/20 0.35
RECQL P46063 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
GAA P10253 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL8959661 1.00 HTR2C (0.45) HTR2CHTR2ATRPM5HTR7KDM4E
SCHEMBL9231573 0.89 HTR2C (0.55) HTR2CHTR2ALMNA
Fumaric Acid SCHEMBL8959756 0.84 TRPM5 (0.47) TRPM5HTR7
Fumaric Acid SCHEMBL8959767 0.84 TRPM5 (0.47) TRPM5HTR7
Fumaric Acid SCHEMBL8959888 0.82 HTR2C (0.36) HTR2CHTR2AHTR7KDM4ELMNA
Fumaric Acid SCHEMBL8959880 0.82 HTR2C (0.36) HTR2CHTR2AHTR7KDM4ELMNA
SCHEMBL8959761 0.82 TRPM5 (0.39) HTR2CHTR2ATRPM5KDM4E
SCHEMBL9229358 0.79 HTR2C (0.39) HTR2CHTR2ATRPM5KDM4ELMNA
SCHEMBL9229362 0.79 HTR2C (0.39) HTR2CHTR2ATRPM5KDM4ELMNA
Fumaric Acid SCHEMBL8959706 0.75 HTR2C (0.77) HTR2CHTR2ATRPM5LMNAPMP22

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed